Information card for entry 1565490

Structure parameters

• Formula: C33 H25 N7 Ni O5.25 S
• Calculated formula: C33 H25 N7 Ni O5.25 S
• Title of publication: Three new metal complexes with imidazole-containing tripodal ligands as fluorophores for nitroaromatics- and ion-selective sensing
• Authors of publication: Huo, Jianqiang; Li, Haiqiang; Yu, Donghui; Arulsamy, Navamoney
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119310
• a: 13.096 ± 0.0005 Å
• b: 15.6324 ± 0.0005 Å
• c: 14.9336 ± 0.0005 Å
• α: 90°
• β: 96.996 ± 0.004°
• γ: 90°
• Cell volume: 3034.47 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No